UCSF

ZINC19809927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.06 12.12 -17.27 1 5 0 64 438.936 5
Hi High (pH 8-9.5) 6.13 11.15 -47.04 0 5 -1 71 437.928 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )